1,1′-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.

N-substituted imidazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Imidazoles

Calculated Property

kind Value Source
logP 2.07 ALOGPS
logS -2.4 ALOGPS
Water Solubility 9.73e-01 g/l ALOGPS
logP 1.45 ChemAxon
IUPAC Name 1-[6-(1H-imidazol-1-yl)hexyl]-1H-imidazole ChemAxon
Traditional IUPAC Name 1-[6-(imidazol-1-yl)hexyl]imidazole ChemAxon
Molecular Weight 218.2981 ChemAxon
Monoisotopic Weight 218.153146596 ChemAxon
SMILES C(CCCN1C=CN=C1)CCN1C=CN=C1 ChemAxon
Molecular Formula C12H18N4 ChemAxon
InChI InChI=1S/C12H18N4/c1(3-7-15-9-5-13-11-15)2-4-8-16-10-6-14-12-16/h5-6,9-12H,1-4,7-8H2 ChemAxon
InChIKey InChIKey=CHRPUSCNMSNSKL-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 35.64 ChemAxon
Refractivity 64.56 ChemAxon
Polarizability 25.14 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 7.09 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Azurin : in Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)